相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Excess electron states in reduced bulk anatase TiO2: Comparison of standard GGA, GGA plus U, and hybrid DFT calculations
Emanuele Finazzi et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Effect of on-site Coulomb repulsion term U on the band-gap states of the reduced rutile (110) TiO2 surface
Carmen J. Calzado et al.
PHYSICAL REVIEW B (2008)
Defect states at the TiO2(110) surface probed by resonant photoelectron diffraction
P. Krueger et al.
PHYSICAL REVIEW LETTERS (2008)
Interplay between external strain and oxygen vacancies on a rutile TiO2(110) surface
Da-Jun Shu et al.
PHYSICAL REVIEW LETTERS (2008)
Structure and local-equilibrium thermodynamics of the c(2x2) reconstruction of rutile TiO2 (100)
O. Warschkow et al.
PHYSICAL REVIEW LETTERS (2008)
Insights into current limitations of density functional theory
Aron J. Cohen et al.
SCIENCE (2008)
Effect of surface oxygen vacancy on pt cluster adsorption and growth on the defective anatase TiO2(101) surface
You Han et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Energetics of oxygen vacancies at rutile TiO2 (110) surface
T. Pabisiak et al.
SOLID STATE COMMUNICATIONS (2007)
A DFT+U description of oxygen vacancies at the TiO2 rutile (110) surface
Benjamin J. Morgan et al.
SURFACE SCIENCE (2007)
Imaging intrinsic diffusion of bridge-bonded oxygen vacancies on TiO2(110)
Zhenrong Zhang et al.
PHYSICAL REVIEW LETTERS (2007)
Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges
M. Veronica Ganduglia-Pirovano et al.
SURFACE SCIENCE REPORTS (2007)
Comparison of the electronic structure of anatase and rutile TiO2 single-crystal surfaces using resonant photoemission and x-ray absorption spectroscopy
A. G. Thomas et al.
PHYSICAL REVIEW B (2007)
Electronic structure of defect states in hydroxylated and reduced rutile TiO2(110) surfaces
Cristiana Di Valentin et al.
PHYSICAL REVIEW LETTERS (2006)
Direct visualization of defect-mediated dissociation of water on TiO2(110)
O Bikondoa et al.
NATURE MATERIALS (2006)
Oxygen vacancies on TiO2(110) and their interaction with H2O and O2:: A combined high-resolution STM and DFT study
S Wendt et al.
SURFACE SCIENCE (2005)
Adsorption, diffusion, and dissociation of molecular oxygen at defected TiO2(110):: A density functional theory study
MD Rasmussen et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Oxygen vacancies on TiO2 (110) from first principles calculations
J Oviedo et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Small gold clusters on stoichiometric and defected TiO2 anatase (101) and their interaction with CO:: A density functional study
A Vittadini et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Energetics of nanocrystalline TiO2
MR Ranade et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)
Stress-driven reconstruction of an oxide surface:: The anatase TiO2(001)-(1x4) surface -: art. no. 266105
M Lazzeri et al.
PHYSICAL REVIEW LETTERS (2001)
Structure and energetics of stoichiometric TiO2 anatase surfaces -: art. no. 155409
M Lazzeri et al.
PHYSICAL REVIEW B (2001)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)